N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide

C15H17N3OS — CID 47148421

IUPACN-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
SMILESO=C(CSc1nncc2ccccc12)NC1CCCC1
InChIInChI=1S/C15H17N3OS/c19-14(17-12-6-2-3-7-12)10-20-15-13-8-4-1-5-11(13)9-16-18-15/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,17,19)
InChIKeyPLXDLVXWLFXYKR-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide

N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 47148421) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
PubChem CID47148421
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
SMILESO=C(CSc1nncc2ccccc12)NC1CCCC1
InChIInChI=1S/C15H17N3OS/c19-14(17-12-6-2-3-7-12)10-20-15-13-8-4-1-5-11(13)9-16-18-15/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,17,19)
InChIKeyPLXDLVXWLFXYKR-UHFFFAOYSA-N
XLogP2.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 71898581
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
N-[[(2R)-oxolan-2-yl]methyl]-2-phthalazin-1-ylsulfanylacetamide
CID 95278113
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-cyclopentyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6401573
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
N-cycloheptyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6409102
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550
N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
CID 6411504
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide (CID 47148421) is N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide is O=C(CSc1nncc2ccccc12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is PLXDLVXWLFXYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(17-12-6-2-3-7-12)10-20-15-13-8-4-1-5-11(13)9-16-18-15/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide?
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 287.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 47148421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).